(2,5-dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate

C19H23N7O8 — CID 75048092

About (2,5-dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate (PubChem CID 75048092) has the molecular formula C19H23N7O8 and a molecular weight of 477.43 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
• PubChem CID: 75048092
• Molecular Formula: C19H23N7O8
• Molecular Weight: 477.43 g/mol
• Exact Mass: 477.16
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
• SMILES: [N-]=[N+]=NCC(=O)NCCCCC(NC(=O)CCN1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C19H23N7O8/c20-24-22-11-14(28)21-9-2-1-3-12(19(33)34-26-17(31)6-7-18(26)32)23-13(27)8-10-25-15(29)4-5-16(25)30/h4-5,12H,1-3,6-11H2,(H,21,28)(H,23,27)
• InChIKey: DUJPGNGCGFZQHK-UHFFFAOYSA-N
• XLogP: -1.01
• TPSA: 208.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.43
LogP ≤ 5	-1.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate (CID 75048092) is (2,5-dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate is [N-]=[N+]=NCC(=O)NCCCCC(NC(=O)CCN1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate?

The InChIKey is DUJPGNGCGFZQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O8/c20-24-22-11-14(28)21-9-2-1-3-12(19(33)34-26-17(31)6-7-18(26)32)23-13(27)8-10-25-15(29)4-5-16(25)30/h4-5,12H,1-3,6-11H2,(H,21,28)(H,23,27).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate?

(2,5-dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate has a molecular weight of 477.43 g/mol, XLogP of -1.01, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate is sourced from PubChem (CID 75048092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).